3-(1-aminopropan-2-ylsulfanyl)-2-methylbutanehydrazide

C8H19N3OS — CID 79405684

IUPAC3-(1-aminopropan-2-ylsulfanyl)-2-methylbutanehydrazide
SMILESCC(CN)SC(C)C(C)C(=O)NN
InChIInChI=1S/C8H19N3OS/c1-5(4-9)13-7(3)6(2)8(12)11-10/h5-7H,4,9-10H2,1-3H3,(H,11,12)
InChIKeyPKYVSBBLTASOMT-UHFFFAOYSA-N
MW205.33 g/mol
LogP0.08
Rot. Bonds5

About 3-(1-aminopropan-2-ylsulfanyl)-2-methylbutanehydrazide

3-(1-aminopropan-2-ylsulfanyl)-2-methylbutanehydrazide (PubChem CID 79405684) has the molecular formula C8H19N3OS and a molecular weight of 205.33 g/mol. Its IUPAC name is 3-(1-aminopropan-2-ylsulfanyl)-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-(1-aminopropan-2-ylsulfanyl)-2-methylbutanehydrazide
PubChem CID79405684
Molecular FormulaC8H19N3OS
Molecular Weight205.33 g/mol
Exact Mass205.12
IUPAC Name3-(1-aminopropan-2-ylsulfanyl)-2-methylbutanehydrazide
SMILESCC(CN)SC(C)C(C)C(=O)NN
InChIInChI=1S/C8H19N3OS/c1-5(4-9)13-7(3)6(2)8(12)11-10/h5-7H,4,9-10H2,1-3H3,(H,11,12)
InChIKeyPKYVSBBLTASOMT-UHFFFAOYSA-N
XLogP0.08
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-ylsulfanyl)-2-methylbutanehydrazide?
The IUPAC name of 3-(1-aminopropan-2-ylsulfanyl)-2-methylbutanehydrazide (CID 79405684) is 3-(1-aminopropan-2-ylsulfanyl)-2-methylbutanehydrazide.
What is the SMILES notation for 3-(1-aminopropan-2-ylsulfanyl)-2-methylbutanehydrazide?
The canonical SMILES for 3-(1-aminopropan-2-ylsulfanyl)-2-methylbutanehydrazide is CC(CN)SC(C)C(C)C(=O)NN.
What is the InChIKey of 3-(1-aminopropan-2-ylsulfanyl)-2-methylbutanehydrazide?
The InChIKey is PKYVSBBLTASOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3OS/c1-5(4-9)13-7(3)6(2)8(12)11-10/h5-7H,4,9-10H2,1-3H3,(H,11,12).
What are the key properties of 3-(1-aminopropan-2-ylsulfanyl)-2-methylbutanehydrazide?
3-(1-aminopropan-2-ylsulfanyl)-2-methylbutanehydrazide has a molecular weight of 205.33 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-ylsulfanyl)-2-methylbutanehydrazide is sourced from PubChem (CID 79405684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).